N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C25H23ClFN3O2 — CID 2172532

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C25H23ClFN3O2/c26-19-6-11-23(22(16-19)25(32)18-4-2-1-3-5-18)28-24(31)17-29-12-14-30(15-13-29)21-9-7-20(27)8-10-21/h1-11,16H,12-15,17H2,(H,28,31)
InChIKeyUMDABCNEYHGIPN-UHFFFAOYSA-N
MW451.93 g/mol
LogP4.47
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 2172532) has the molecular formula C25H23ClFN3O2 and a molecular weight of 451.93 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID2172532
Molecular FormulaC25H23ClFN3O2
Molecular Weight451.93 g/mol
Exact Mass451.15
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C25H23ClFN3O2/c26-19-6-11-23(22(16-19)25(32)18-4-2-1-3-5-18)28-24(31)17-29-12-14-30(15-13-29)21-9-7-20(27)8-10-21/h1-11,16H,12-15,17H2,(H,28,31)
InChIKeyUMDABCNEYHGIPN-UHFFFAOYSA-N
XLogP4.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 2172532) is N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is UMDABCNEYHGIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O2/c26-19-6-11-23(22(16-19)25(32)18-4-2-1-3-5-18)28-24(31)17-29-12-14-30(15-13-29)21-9-7-20(27)8-10-21/h1-11,16H,12-15,17H2,(H,28,31).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 451.93 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2172532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).